>compound Lovastatin
>formula C24H36O5
>parentmass 405.262369977909
>charge 1

>ms1peaks
107.0483710164 0.564057
125.059423824728 1.31709
143.07201338481 2.47736
145.100615528477 0.734187
159.117778691005 0.637659
173.132262193986 4.44572
199.147601968758 23.2424
201.163477510024 2.20146
223.147850876874 0.875587
225.162783265495 6.72531
239.179194431995 1.26397
243.174113923431 9.65993
249.165207133851 1.36307
267.173716821398 7.41107
285.184441575691 24.2643
286.188078742106 0.521616
303.194952574816 13.4315
405.263682192082 100.0
405.446161959598 1.52087
405.499825157473 0.935359
405.561899090968 0.6395
405.652980610561 0.538171
405.871044715951 0.573794
405.98186027436 0.500351

>collision 10.0
55.0539501984287 0.549292
57.0687504760833 0.731881
69.0693803741949 0.798571
79.0554621367123 3.56194
81.0709656832889 2.79164
83.0493038169365 1.77564
91.054558397673 0.648314
93.0697801361292 0.742719
95.087656037257 1.18365
97.0649236034243 2.45207
97.1003006997373 0.618553
105.069759490216 1.09833
107.049213627756 3.4296
107.085168890375 4.53951
109.101701382485 0.552244
119.08757781134 0.776817
121.099110805234 1.16276
123.077160848957 0.619684
125.060151914331 5.42586
127.075732022512 1.47112
129.069166390552 0.542228
131.084394674258 2.74394
133.09942692167 1.5865
143.074577835358 10.2519
145.100893529582 4.55989
147.116230200144 1.0538
155.082086569498 1.02967
157.102577726043 3.13522
159.116133783885 8.45401
161.132267466835 0.716238
163.111018854385 0.62584
169.099875417122 5.65192
171.115940968273 6.00852
173.131864542542 42.5854
174.133938306254 0.602921
183.115221761861 2.18641
185.130665868181 1.26496
189.087386130896 0.823854
191.104381591908 2.86067
193.116203017946 0.659081
195.112999361405 0.532804
197.128486031422 2.19193
199.147477354566 100.0
199.275385286272 1.64807
199.31918942938 0.720112
199.382205433064 0.598662
199.432781182487 0.614023
199.51935052498 0.669512
201.163509664494 19.7754
203.100132776471 0.639528
205.121435439562 1.57053
207.113535906637 0.810472
209.118366145728 2.9217
211.143447783707 1.96445
215.178368097116 2.08309
221.133632375236 0.51617
223.147652937331 9.37257
225.163593419669 47.892
226.165325817025 0.682374
229.119437796582 1.22611
239.178155454948 11.0046
241.190446004495 1.06245
243.173946315805 54.435
243.31024729168 0.836797
243.496053222367 0.596101
247.132039174241 0.521886
249.162961482859 15.9189
257.157816130025 1.33779
267.173927130134 36.8782
267.320886780738 0.504198
268.177111229119 0.711269
285.184919110439 88.3312
285.332313227106 1.48021
285.387630277577 0.717802
285.466443263812 0.598608
286.190662941131 0.826274
303.194684599502 33.7743
303.344724889899 0.672845
321.20472058431 1.42337
405.262369977909 17.0577

>collision 20.0
41.0376681552851 0.839218
55.0544354196483 1.89209
57.0709486012137 0.652269
67.055346062721 0.509638
69.0719314531779 1.09442
71.04939553885 0.59019
77.0378711602301 0.711245
79.0546949677346 10.2617
81.0698417784799 9.2069
83.0501369084722 4.37636
85.0653954651739 1.89613
89.0228156944895 1.99303
91.0555654696315 1.13263
93.070459613306 1.77988
95.0852383621425 3.18216
97.0648114096946 7.13901
99.0805577910545 1.19678
105.070147244719 6.36804
107.048968104437 4.36093
107.084985019159 11.7642
109.0795749134 0.761115
111.080556461658 0.626505
117.068115581316 1.21054
119.084919996476 3.86177
121.054641016977 0.772454
121.101772017759 4.60383
123.078064606177 1.02315
125.060044558807 4.44271
127.072847396127 1.34769
127.104392653106 0.615509
128.059125742163 0.82727
129.068850418255 1.42143
130.074473744531 0.554127
131.08530865681 8.97248
133.101871094083 2.42207
135.108391678214 1.50117
142.082241213266 0.645842
143.084319337712 12.1848
145.101226091047 11.2232
147.116905588332 1.40647
149.102362797554 0.596816
151.07263760236 0.575333
155.084583188282 2.81383
157.101160895524 8.82555
158.10737320659 1.74816
159.116336638348 20.0353
161.13089597457 1.65779
163.110659849504 1.81346
165.089072486919 0.604934
167.087621676898 1.24068
169.099779703756 12.7806
171.116034165479 16.3402
173.131981436795 61.6298
173.251189592567 0.780211
173.289223365411 0.653553
177.087866119149 0.539206
179.102698438346 0.53997
181.10489272356 1.6584
183.116338957275 7.53225
185.13160990989 3.64153
187.105925212892 0.691641
189.088715094032 0.722448
191.106609026557 6.04976
193.104667203631 2.19724
195.112705036219 1.53336
197.130739522998 8.45951
199.147426242313 100.0
199.267341535591 1.4192
199.312919089498 0.914022
199.345368782469 0.754144
199.408199130834 0.648486
199.543035195649 0.508534
199.84011907933 0.517626
200.149454204799 1.378
201.162616569573 26.23
201.291190038814 0.510032
203.102188119439 0.656262
205.120182678315 3.3923
207.114278227995 3.74536
209.123304826083 2.0233
211.140838098166 4.39243
212.152451134882 0.536421
213.167488725461 0.918939
215.177429974615 3.65025
221.127011418562 0.867472
223.147544927379 14.3664
225.163232893111 64.8984
225.299870367969 0.805872
226.167496956969 0.558031
229.1217517647 3.32489
234.141378174396 0.582831
239.178449419305 17.2435
241.182174253198 0.63814
243.17343038616 40.5337
243.309529667472 0.549418
244.174573627651 0.564577
249.163205349267 20.3291
257.157760660127 1.27345
267.172691826992 19.3139
285.184800479292 31.8762
303.194219445483 8.30517
405.262195476671 0.787579

>collision 40.0
41.0388711569497 5.10075
42.0415463553642 0.688475
43.0190716340762 4.4554
43.0539308657162 2.02311
50.0131862510781 0.527577
53.0390092505639 1.46951
55.0190477732424 2.15265
55.0547238482248 10.9095
57.0350105514397 1.09592
57.071561358012 4.45701
59.0509269561761 0.856217
65.0365252666839 1.53151
67.055372051415 10.9192
68.9973379658114 3.11882
69.0357696835208 0.8872
69.0713710563275 9.57903
71.0137386025901 5.66687
71.0501295505256 1.91549
74.9851189895467 0.610118
77.037852354354 3.71966
79.054944852722 28.2269
81.0336943935554 0.665458
81.0704000550602 32.742
81.1510899687284 0.656874
83.0496413801317 11.9508
85.0256488927242 0.587419
85.0646324322729 5.90919
89.0232711606295 2.47085
91.055053816469 13.9201
93.0698592865445 16.3013
95.0465130625178 0.704584
95.085942858734 8.7517
97.064317143278 6.17799
101.057502207939 0.889459
102.045266436659 0.625574
103.055481480605 1.6885
105.070201530302 36.5891
105.155912502998 0.520062
106.078281182726 0.739761
107.047074247913 1.18418
107.085733962324 16.9171
108.087930962961 0.610616
109.063764300383 1.16724
109.101311942051 2.29529
111.0782599331 1.10576
115.053400805231 3.06283
117.069951371357 7.57522
119.085368727569 20.8648
121.099231635114 8.43186
121.204033203516 0.795227
123.077135760865 0.874964
123.116056449363 0.844035
125.060622656806 1.82636
127.055857339378 2.94525
128.062483287181 12.5321
129.06981180147 12.2718
130.077354951033 3.16332
131.08525382784 45.3332
131.185115415653 0.638985
133.099639424508 7.82584
135.109748675876 1.39528
137.096905477933 0.62791
141.06943775924 5.40818
142.07650669711 14.0364
143.085282576514 100.0
143.190877842987 1.81965
143.23345372323 0.6665
143.257400394298 0.626646
143.295213634726 0.705209
143.36576114923 0.562347
144.092367742479 9.95704
144.166879799053 0.573773
145.10074742679 48.7813
145.190022440359 1.17231
146.105628524819 1.02633
147.113489046137 3.0734
149.102404283439 1.28882
151.071979207119 1.43847
153.068652300444 2.4896
154.076879616228 2.47144
155.085184274447 20.3759
156.09204257188 11.1939
157.100886799642 36.9985
157.184400850766 0.87187
157.216306427441 0.652802
158.107479914713 19.1101
159.115902140417 44.7897
160.123177521563 1.16127
161.09333554638 1.0886
161.131682292268 1.72494
163.074264535283 0.538358
163.112775979438 0.67355
165.076105666181 2.1089
166.078053740742 0.570567
167.08210655687 2.01181
168.092294031356 6.14034
169.100190227815 45.5095
169.218496399032 0.703905
170.106902774229 3.18368
171.11654360771 35.0464
171.209561743192 0.755561
172.120530875757 0.841112
173.132201074792 75.2732
173.289256952348 0.750185
173.322671422348 0.545235
173.53876196602 0.664113
173.630562376649 0.523315
174.135470753125 0.562486
175.100248207827 0.754736
177.092529352078 1.21788
178.078930180007 0.971848
179.094999621917 2.05544
180.094293824215 0.923216
181.102222144863 5.67361
182.107739565349 2.76124
183.11636971399 27.4723
184.122993316442 4.82842
185.131456736929 5.35107
187.11824019345 1.06127
189.164914536448 0.798259
191.105320163835 3.24162
192.091730994733 2.32273
193.101155841689 5.4904
194.108434570602 0.989556
195.115290707485 7.74609
196.126550792528 3.97513
197.132805547578 18.3653
197.206715852613 0.71953
198.139607367379 1.89689
199.147776852007 78.3512
199.251815848742 1.4442
199.311597611826 0.735207
199.600540799322 0.711434
201.162707310311 10.0821
203.10557606533 0.748878
204.09114581237 0.502261
205.117143004752 1.73696
206.110609882886 0.600368
207.115614533051 5.55065
208.124517023091 2.97318
210.139370043135 6.17594
211.142256242665 4.83785
213.152820627779 0.78878
215.111099755145 1.48379
215.175924884432 2.10132
219.114095552624 2.51147
220.123798591897 1.8998
221.131222673876 1.6974
223.146617750939 15.5973
225.16252191097 40.7419
226.161955219619 1.05323
229.117710514754 1.64619
234.14145252025 3.4999
239.176384913724 4.10308
243.172929821643 2.28785
247.150921116994 0.561294
249.164166356075 3.8038
256.144670740711 0.62209
285.179788161793 1.67483

